Molecule

ID:94905

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂FN
Molecular Mass
153.1966832
Exact Mass
153.09537761
Charge
0
InChI
InChI=1S/C9H12FN/c1-7(11-2)8-4-3-5-9(10)6-8/h3-7,11H,1-2H3
InChIKey
PZBFMZHXSLJFMU-UHFFFAOYSA-N
Canonic Smiles
CNC(c1cccc(c1)F)C
Isomeric Smiles
Fc1cc(ccc1)C(C)NC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.0793514
LogD (pH = 7.4)
0.029704465
Log P
2.0908716
Molar Refractivity
43.9412
Polarizability
17.022017
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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